Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosylhomocysteinase' and Ligand = 'BDBM50050869'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosylhomocysteinase (Homo sapiens (Human))	BDBM50050869 (CHEMBL3322555) Show SMILES CCNCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 Show InChI InChI=1S/C30H34Cl2N4O3/c1-3-33-14-15-34-29(37)19-36(20-30(38)35(2)25-16-21-6-4-5-7-22(21)17-25)27-18-24(32)10-13-28(27)39-26-11-8-23(31)9-12-26/h4-13,18,25,33H,3,14-17,19-20H2,1-2H3,(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant S-adenosyl-L-homocysteine hydrolase assessed as AdoHcy hydrolysis activity by HPLC analysis				Bioorg Med Chem Lett 24: 4336-40 (2014) Article DOI: 10.1016/j.bmcl.2014.06.008 BindingDB Entry DOI: 10.7270/Q2377BCP
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